Information card for entry 7021674

Structure parameters

• Formula: C50 H73 N7 Ti2
• Calculated formula: C50 H73 N7 Ti2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[Ti](N(c2c(cccc2C(C)C)C(C)C)[Ti]1([n]1ccccc1)([n]1ccccc1)N(C)C)(=Nc1c(cccc1C(C)C)C(C)C)N(C)C
• Title of publication: Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12203 - 12219
• a: 12.6101 ± 0.0006 Å
• b: 22.68 ± 0.0014 Å
• c: 21.3541 ± 0.001 Å
• α: 90°
• β: 99.489 ± 0.005°
• γ: 90°
• Cell volume: 6023.6 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1516
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No